Information card for entry 4083149

Structure parameters

• Common name: wdb_1_163
• Chemical name: wdb_1_163
• Formula: C24 H43.915 Cl0.085 F3 N O3 P2 Pd S
• Calculated formula: C23.9999 H43.9149 Cl0.0851 F2.99985 N O2.99985 P2 Pd S0.99995
• Title of publication: Synthesis and Characterization of Anionic, Neutral, and Cationic PNP Pincer PdIIand PtIIHydrides
• Authors of publication: Bailey, Wilson D.; Kaminsky, Werner; Kemp, Richard A.; Goldberg, Karen I.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2503
• a: 15.0598 ± 0.0015 Å
• b: 15.4771 ± 0.0014 Å
• c: 25.655 ± 0.003 Å
• α: 83.144 ± 0.004°
• β: 81.714 ± 0.005°
• γ: 83.18 ± 0.004°
• Cell volume: 5843.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No